formoterol   Click here for help

GtoPdb Ligand ID: 3465

Synonyms: BD-40A | CGP-25827A | Foradil® | Oxeze/Oxis® | YM-08316
Approved drug Immunopharmacology Ligand
formoterol is an approved drug (FDA (2001))
Compound class: Synthetic organic
Comment: Formoterol is a long-acting inhalation bronchodilator. The approved drug is a racemic mixture of enantiomers; PubChem lists 6 CIDs as isotopes of this molecule. We show the non-chiral molecule here to represent the mixture. The marketed formulation may contain formoterol fumarate (PubChem CID 9912089).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 90.82
Molecular weight 344.17
XLogP 2.21
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O
Isomeric SMILES O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O
InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)
InChI Key BPZSYCZIITTYBL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2001))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide
International Nonproprietary Names Click here for help
INN number INN
4935 formoterol
Synonyms Click here for help
BD-40A | CGP-25827A | Foradil® | Oxeze/Oxis® | YM-08316
Database Links Click here for help
CAS Registry No. 73573-87-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1256786
DrugBank Ligand DB00983
DrugCentral Ligand 1239
GtoPdb PubChem SID 178100459
PubChem CID 3410
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Wikipedia Arformoterol, Formoterol